Publications by authors named "S H Southworth"

Article Synopsis
  • * Traditional models for these processes often ignore molecular bonding effects, so this research introduces a new method that integrates Auger-Meitner decay with nuclear dynamics over multiple decay steps through a novel algorithm.
  • * The approach is exemplified through the K-shell ionization of IBr and reveals important insights on electron transfer dynamics and molecular fragmentation, with findings consistent with experimental data showing a decay time scale of around 75 femtoseconds.
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Two-dimensional spectral mapping is used to visualize how resonant Auger-Meitner spectra are influenced by the site of the initial core-electron excitation and the symmetry of the core-excited state in the trifluoroethyl acetate molecule (ESCA). We observe a significant enhancement of electron yield for excitation of the COO 1s → π* and CF 1s → σ* resonances unlike excitation at resonances involving the CH and CH sites. The CF 1s → π* and CF 1s → σ* resonance spectra are very different from each other, with the latter populating most valence states equally.

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We present time-resolved X-ray absorption spectra of ionized liquid water and demonstrate that OH radicals, HO ions, and solvated electrons all leave distinct X-ray-spectroscopic signatures. Particularly, this allows us to characterize the electron solvation process through a tool that focuses on the electronic response of oxygen atoms in the immediate vicinity of a solvated electron. Our experimental results, supported by ab initio calculations, confirm the formation of a cavity in which the solvated electron is trapped.

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The evolution of charge carriers in photoexcited room temperature ZnO nanoparticles in solution is investigated using ultrafast ultraviolet photoluminescence spectroscopy, ultrafast Zn K-edge absorption spectroscopy, and molecular dynamics (MD) simulations. The photoluminescence is excited at 4.66 eV, well above the band edge, and shows that electron cooling in the conduction band and exciton formation occur in <500 fs, in excellent agreement with theoretical predictions.

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Characterization of the inner-shell decay processes in molecules containing heavy elements is key to understanding x-ray damage of molecules and materials and for medical applications with Auger-electron-emitting radionuclides. The 1s hole states of heavy atoms can be produced by absorption of tunable x rays and the resulting vacancy decays characterized by recording emitted photons, electrons, and ions. The 1s hole states in heavy elements have large x-ray fluorescence yields that transfer the hole to intermediate electron shells that then decay by sequential Auger-electron transitions that increase the ion's charge state until the final state is reached.

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